N-{(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-fluorobenzamide
N-{(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | 4593-7278 |
| Compound Name: | N-{(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-fluorobenzamide |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C29 H27 F N4 O3 S |
| Smiles: | CC1CN(CC(C)O1)C(/C(=C/c1cn(c2ccccc2)nc1c1cccs1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4968 |
| logD: | 2.269 |
| logSw: | -4.1806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.395 |
| InChI Key: | IEJFCSBNERJEQH-UHFFFAOYSA-N |